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Receptor
PDB id Resolution Class Description Source Keywords
3AFN 1.63 Å EC: 1.1.1.126 CRYSTAL STRUCTURE OF ALDOSE REDUCTASE A1-R COMPLEXED WITH NA SPHINGOMONAS SP. ALPHA/BETA/ALPHA ROSSMANN-FOLD OXIDOREDUCTASE
Ref.: MOLECULAR IDENTIFICATION OF UNSATURATED URONATE RED PREREQUISITE FOR ALGINATE METABOLISM IN SPHINGOMONA BIOCHIM.BIOPHYS.ACTA V.1804 1925 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:3001;
B:3001;
C:3001;
D:3001;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
TBU A:1001;
B:1001;
C:1001;
D:1001;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
74.122 C4 H10 O CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3AFN 1.63 Å EC: 1.1.1.126 CRYSTAL STRUCTURE OF ALDOSE REDUCTASE A1-R COMPLEXED WITH NA SPHINGOMONAS SP. ALPHA/BETA/ALPHA ROSSMANN-FOLD OXIDOREDUCTASE
Ref.: MOLECULAR IDENTIFICATION OF UNSATURATED URONATE RED PREREQUISITE FOR ALGINATE METABOLISM IN SPHINGOMONA BIOCHIM.BIOPHYS.ACTA V.1804 1925 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3AFN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3AFN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VZ0 Ki = 9.8 nM D64 C15 H14 N4 Cc1ccc(cc1....
2 1VL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
5 4N5M - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
6 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
7 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
8 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
9 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 2AE2 - PTO C8 H15 N O CN1[C@H]2C....
11 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
13 5YSS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
15 1ZEM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 5O43 Ki = 42 nM 9JQ C18 H14 F2 N2 O2 CN(c1ccc(c....
17 5EN4 Ki = 64 nM 5Q6 C18 H12 F N O4 c1cc(c(c(c....
18 5O6X Ki = 6 nM 9MK C17 H12 F N O2 Cc1ccc2c(c....
19 5L7T Ki = 26 nM 6QJ C19 H14 F N O3 Cc1cc(ccc1....
20 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
22 2WDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 2Q2V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1G0O Ki = 14 nM PYQ C11 H11 N O c1cc2c3c(c....
26 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5Z2L Kd = 45 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
29 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 4NBU - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
31 4KWH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 4KWI - 1TJ C19 H12 O5 Cc1cc2c(c(....
33 5OJG - BUO C4 H6 O2 CC(=O)C(=O....
34 2CFC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 3ICC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
36 3AI3 - SOE C6 H12 O6 C1[C@@H]([....
37 1AHI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
39 3VDQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 2DTX - BMA C6 H12 O6 C([C@@H]1[....
41 2DTE - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
42 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1JA9 Ki = 420 nM PYQ C11 H11 N O c1cc2c3c(c....
44 1UZN Kd = 11.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
45 3QWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
46 3AFN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
47 1XHL - TNE C8 H13 N O CN1[C@H]2C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3AFN; Ligand: NAP; Similar sites found with APoc: 710
This union binding pocket(no: 1) in the query (biounit: 3afn.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 3EW2 BTN None
2 2JK0 ASP 1.16279
3 3G89 SAM 1.20482
4 5LUB 3Y7 1.55039
5 2GK6 ADP 1.55039
6 4NEC SAH 1.55039
7 5KOK SAH 1.76322
8 4NTO 1PW 1.93237
9 2HJR APR 1.93798
10 9LDT NAD 1.93798
11 1T26 NAI 1.93798
12 1T26 GBD 1.93798
13 3A4T SFG 1.93798
14 4R5M NAP 1.93798
15 2A92 NAI 1.93798
16 9LDB NAD 1.93798
17 5EIN NAP 1.93798
18 4R5M 4NO 1.93798
19 6CEP NAD 1.93798
20 6CEP OXM 1.93798
21 1LLU NAD 1.93798
22 1K3A ACP 1.93798
23 1GET FAD 1.93798
24 4BLW AMP 1.93798
25 1GET NAP 1.93798
26 4OBW SAM 1.94553
27 6EL3 NAP 2.32558
28 1PZG A3D 2.32558
29 5XNC MTA 2.32558
30 1UXG NAD 2.32558
31 1UXG FUM 2.32558
32 6C4N NAP 2.32558
33 5Z21 NAI 2.32558
34 3KB6 NAD 2.32558
35 4CSD MFU 2.32558
36 1RJD SAM 2.32558
37 2CVQ NDP 2.32558
38 5C9P FUC 2.32558
39 1LTH NAD 2.32558
40 5BW4 SAM 2.32558
41 2QZZ NAP 2.32558
42 2QZZ EMF 2.32558
43 4XP7 FNR 2.32558
44 2VDV SAM 2.43902
45 3RGG AIR 2.51572
46 3T7S SAM 2.61194
47 5WHU SIA GAL GLC 2.68456
48 5WHU SIA 2.68456
49 3DUW SAH 2.69058
50 1SB8 UD2 2.71318
51 1SB8 NAD 2.71318
52 1GY8 NAD 2.71318
53 1WP4 NDP 2.71318
54 2F1K NAP 2.71318
55 1PL6 NAD 2.71318
56 1T3D CYS 2.71318
57 4D79 ATP 2.71318
58 6BII NAP 2.71318
59 3CIF NAD 2.71318
60 3H9E NAD 2.71318
61 1LVW TYD 2.71318
62 3CMC NAD 2.71318
63 1SQF SAM 2.71318
64 4RDH AMP 2.71318
65 2CVZ NDP 2.71318
66 4GKV NAD 2.71318
67 4RLQ 3SK 2.71318
68 2UYQ SAM 2.71318
69 1RM4 NDP 2.71318
70 1SQ5 PAU 2.71318
71 3CIF G3H 2.71318
72 5O9F NAD 2.71318
73 5O9F 9ON 2.71318
74 4RDI ATP 2.71318
75 1NVM NAD 2.71318
76 1WRA PC 2.71318
77 1DJN ADP 2.71318
78 4P86 5GP 2.73224
79 2PHT MAN MAN MAN 2.77778
80 1Q8O MAN MMA 2.77778
81 1Q8V MAN MAN 2.77778
82 2YPI PGA 2.83401
83 4DYG NAG NAG NAG NAG 2.86885
84 2XVM SAH 3.01508
85 5TWJ SAM 3.08642
86 1FRW GTP 3.09278
87 6C4T NA7 3.10078
88 4D3F NAP 3.10078
89 1TI7 NAP 3.10078
90 2VUT NAD 3.10078
91 2PWY SAH 3.10078
92 2V7B BEZ 3.10078
93 1MUU NAD 3.10078
94 3A06 NDP 3.10078
95 1MV8 NAD 3.10078
96 2DBZ NAP 3.10078
97 3TTM PUT 3.10078
98 2WA2 SAM 3.10078
99 4LC1 GDP 3.10078
100 1ZQ9 SAM 3.10078
101 4M52 M52 3.10078
102 2RAB NAD 3.10078
103 2RAB FAD 3.10078
104 5MPT SAH 3.10078
105 1P77 ATR 3.10078
106 1M2W NAD 3.10078
107 1GUZ NAD 3.10078
108 4ISS TAR 3.10078
109 5H81 NAP 3.10078
110 3A06 FOM 3.10078
111 5Y8L NAD 3.10078
112 5AOV NAP 3.10078
113 3PT9 SAH 3.10078
114 1XXR MAN 3.10559
115 2MJP ANP 3.10881
116 4R1S NAP 3.2641
117 5XVH NAP 3.26797
118 2BKA NDP 3.30579
119 4LZB URA 3.36134
120 5ZZ6 ADP 3.36538
121 5ZZ6 NAD 3.36538
122 5XWV NDP 3.42742
123 5XWV 8H6 3.42742
124 4YGM URA 3.44828
125 6DNT NAD 3.48837
126 2PZM NAD 3.48837
127 2PZM UDP 3.48837
128 3WMX NAD 3.48837
129 5OCQ CIT 3.48837
130 1E5Q NDP 3.48837
131 2IZ1 ATR 3.48837
132 1B8U NAD 3.48837
133 5ZI2 NAD 3.48837
134 1CER NAD 3.48837
135 1DSS NAD 3.48837
136 5ZI2 ADP 3.48837
137 2I3G NAP 3.48837
138 6D6Y SAH 3.48837
139 5U5G NAP 3.48837
140 3ZW0 FUC 3.48837
141 5ZW3 SAH 3.48837
142 1Q0H NDP 3.48837
143 1Q0H FOM 3.48837
144 1UP7 NAD 3.48837
145 3WQQ NDP 3.48837
146 3WQQ IB3 3.48837
147 5UR0 NAD 3.48837
148 2ZWA SAH 3.48837
149 1GAD NAD 3.48837
150 3VPH NAD 3.48837
151 1GQ2 NAP 3.48837
152 1YKJ FAD 3.48837
153 1YKJ PHB 3.48837
154 1V59 NAD 3.48837
155 1V59 FAD 3.48837
156 3VPH OXM 3.48837
157 4JBI NDP 3.48837
158 3L4S NAD 3.48837
159 4JDR FAD 3.48837
160 1MO9 KPC 3.48837
161 1MO9 FAD 3.48837
162 3OA2 NAD 3.48837
163 4BGB ADP 3.48837
164 3KO8 NAD 3.52564
165 3WV8 ATP 3.66972
166 3OFK SAH 3.7037
167 2DT5 NAD 3.79147
168 5F5N NAD 3.80623
169 5CAE COA 3.83387
170 2BQP GLC 3.84615
171 4TQG NDP 3.87597
172 2X6T NAP 3.87597
173 1EQ2 NAP 3.87597
174 2C5A GDC 3.87597
175 2C5A NAD 3.87597
176 5E9W SAH 3.87597
177 4FBL SPD 3.87597
178 4ZVV GN0 3.87597
179 4LHD GLY 3.87597
180 1X87 NAD 3.87597
181 1EJ0 SAM 3.87597
182 3V1Y NAD 3.87597
183 4ZVV NAD 3.87597
184 4BHL ARG 3.87597
185 5F8F SFG 3.87597
186 1XVB BBU 3.87597
187 1H5S TMP 3.87597
188 1LVL NAD 3.87597
189 1H5R THM 3.87597
190 3GGO ENO 3.87597
191 3GGO NAI 3.87597
192 5X9D 80F 3.87597
193 5LVP ATP 3.87597
194 1LVL FAD 3.87597
195 4BG4 ARG 3.87597
196 3QVP FAD 3.87597
197 5YB7 ORN 3.87597
198 5YB7 FAD 3.87597
199 1SC6 NAD 3.87597
200 2G5C NAD 3.87597
201 1U1I NAD 3.87597
202 1FP1 SAH 3.87597
203 1KEV NDP 3.87597
204 4OM8 NAD 3.8835
205 3MB5 SAM 3.92157
206 6GAS FAD 3.92749
207 1LK7 DER 3.93013
208 3KP6 SAL 3.97351
209 5HW4 SAM 4.03226
210 1EYQ NAR 4.05405
211 6BWL NAD 4.26357
212 5MLR NAP 4.26357
213 5MLR GRQ 4.26357
214 1KEW NAD 4.26357
215 2V6G NAP 4.26357
216 1KEW TYD 4.26357
217 5K4W THR 4.26357
218 5K4W NAI 4.26357
219 2EXX NAP 4.26357
220 1UWK URO 4.26357
221 1UWK NAD 4.26357
222 4XQC 13D 4.26357
223 5T63 ALA ALA ALA ALA 4.26357
224 4XQC NAD 4.26357
225 1O6Z NAD 4.26357
226 4FZV SAM 4.26357
227 5YLF BGC 4.26357
228 3B20 NAD 4.26357
229 3OJO NAD 4.26357
230 4E5N NAD 4.26357
231 5JE8 NAD 4.26357
232 4Z0H NAD 4.26357
233 1GPM AMP 4.26357
234 3LAD FAD 4.26357
235 4YCA NDP 4.26357
236 1M32 PLP 4.26357
237 5TH5 MET 4.26357
238 4J56 FAD 4.26357
239 3B1J NAD 4.26357
240 5ZYN FAD 4.26357
241 1J5P NAD 4.34783
242 5OOH NAP 4.36893
243 5OOH 9ZZ 4.36893
244 1VM6 NAD 4.38596
245 5N5D SAM 4.42478
246 3ZXE PGZ 4.51128
247 3GDH SAH 4.56432
248 5ZEC NAP 4.65116
249 1BXK NAD 4.65116
250 4XB2 NDP 4.65116
251 5AHO TLA 4.65116
252 1SOW NAD 4.65116
253 1KYZ SAH 4.65116
254 4XB2 HSE 4.65116
255 1I9G SAM 4.65116
256 3A27 SAM 4.65116
257 2B4R NAD 4.65116
258 5THY SAH 4.65116
259 3R75 PYR 4.65116
260 6A0S NDP 4.65116
261 6A0S HSE 4.65116
262 6IS0 M7G 4.65116
263 1E1M NAP 4.65116
264 1E1M FAD 4.65116
265 2D2I NAP 4.65116
266 1E6E FAD 4.65116
267 1OMO NAD 4.65116
268 2VN9 GVD 4.65116
269 2B4R AES 4.65116
270 5THZ SAH 4.65116
271 5D4V SAH 4.65116
272 5OKU 0L1 4.65116
273 1A5Z NAD 4.70219
274 5E65 5N6 GAL 4.81928
275 2JL1 NAP 4.87805
276 1S8G DAO 4.95868
277 4YMH SAH 5
278 2Q1W NAD 5.03876
279 1OC2 NAD 5.03876
280 1OC2 TDX 5.03876
281 1LDM NAD 5.03876
282 1BW9 NAD 5.03876
283 4C4A SAH 5.03876
284 1FDJ 2FP 5.03876
285 1C1X NAD 5.03876
286 1BXG NAD 5.03876
287 1ITW ICT 5.03876
288 5G6U YJM 5.03876
289 4UP4 GAL NAG 5.03876
290 2IXB NAD 5.03876
291 2IXB A2G 5.03876
292 3KLL MAL 5.03876
293 2NVK FAD 5.03876
294 2E5V FAD 5.03876
295 3QV1 NAD 5.04451
296 1LDN NAD 5.06329
297 2E5Y ATP 5.26316
298 3EGI ADP 5.33981
299 1ORR NAD 5.42636
300 4ZRN NAD 5.42636
301 4ZRN UPG 5.42636
302 1V35 NAI 5.42636
303 5L4L NAP 5.42636
304 5L4L 7OX 5.42636
305 4PLT NAI 5.42636
306 4PLT OXM 5.42636
307 6FDF SAH 5.42636
308 1H9A NAP 5.42636
309 1EBF NAD 5.42636
310 2IV3 UDP 5.42636
311 5FA5 MTA 5.42636
312 4N49 SAM 5.42636
313 1J0X NAD 5.42636
314 5C8W PCG 5.42636
315 3UDZ ADP 5.42636
316 1TL2 NDG 5.50847
317 2HMT NAI 5.55556
318 1P6O HPY 5.59006
319 3K0T BGC 5.59441
320 5LW0 AR6 5.62771
321 1Y1P NMN AMP PO4 5.81395
322 1E7S NAP 5.81395
323 1I2B UPG 5.81395
324 1I2B NAD 5.81395
325 1I2B USQ 5.81395
326 4PLG NAI 5.81395
327 4PLG OXM 5.81395
328 1OFL ASG GCD 5.81395
329 5HJQ I3P 5.81395
330 1N7G NDP 5.81395
331 1N7G GDR 5.81395
332 4FOU C2E 5.81395
333 1ZGA SAH 5.81395
334 5KKA 6V0 5.81395
335 4X9M FAD 5.81395
336 1H2B NAJ 5.81395
337 2HK9 ATR 5.81818
338 2HK9 NAP 5.81818
339 3S0E EOL 5.88235
340 5T9F TYR 5.90406
341 5T9E NAP 5.90406
342 5T9F NAP 5.90406
343 4QTU SAM 5.92593
344 1ION ADP 6.17284
345 5BJX NAD 6.20155
346 5BJX UDP 6.20155
347 5MSO NAP 6.20155
348 2Q1S NAI 6.20155
349 4ZGS NAD 6.20155
350 3O7W SAM 6.20155
351 1KYQ NAD 6.20155
352 4KOA NDP 6.20155
353 2VGD XYP XYP 6.20155
354 5N6C NAD 6.20155
355 1Y8Q ATP 6.20155
356 1TB4 PEJ 6.20155
357 1P31 EPU 6.20155
358 1CF2 NAP 6.20155
359 1WUU GLA 6.20155
360 6GKV SAH 6.26781
361 5YRV 5AD 6.5
362 2XYQ SAH 6.55738
363 1RKX NAD 6.58915
364 1R6D NAD 6.58915
365 1R6D DAU 6.58915
366 1WVG APR 6.58915
367 5JAQ NAI 6.58915
368 4DPL NAP 6.58915
369 1NYT NAP 6.58915
370 5AYV NAP 6.58915
371 4LWP SAH 6.58915
372 4CNK MEU 6.58915
373 4R74 F6P 6.58915
374 1T66 FLU 6.58915
375 6F7X MFU 6.66667
376 4Z28 BTN 6.71642
377 1QSC ACE TYR PRO ILE GLN GLU THR 6.80628
378 1EK6 NAI 6.97674
379 5Z75 NAD 6.97674
380 1EK6 UPG 6.97674
381 5OCM NAP 6.97674
382 5LD5 NAD 6.97674
383 3ICS ADP 6.97674
384 4M37 SAH 6.97674
385 4M38 SAH 6.97674
386 1YB5 NAP 6.97674
387 3ICT ADP 6.97674
388 1RM0 D6P 6.97674
389 1HYH NAD 6.97674
390 4M5P MLA 6.97674
391 1FEC FAD 6.97674
392 1RM0 NAI 6.97674
393 5IL1 SAM 7.07547
394 4G5H UD7 7.36434
395 4G5H NAP 7.36434
396 1RJW ETF 7.36434
397 1PJS NAD 7.36434
398 1I36 NAP 7.36434
399 3GFB NAD 7.36434
400 1U1W 3HA 7.36434
401 3B1F NAD 7.36434
402 4MOP 2H5 7.36434
403 1J49 NAD 7.36434
404 2VYN NAD 7.36434
405 3KIF GDL 7.54717
406 5DF1 58X 7.75194
407 5DF1 NAP 7.75194
408 1V6A TRE 7.75194
409 6AA8 NAD 7.75194
410 1GPE FAD 7.75194
411 3X0D SAH 7.75194
412 6F7L FAD 7.75194
413 1FP2 SAH 7.75194
414 3A25 SAM 7.75194
415 2UZH CDP 7.87879
416 3TTZ 07N 8.08081
417 1Z45 NAD 8.13953
418 1VL0 NAI 8.13953
419 2C29 NAP 8.13953
420 2C29 DQH 8.13953
421 3SQP FAD 8.13953
422 4L8V NAP 8.13953
423 5YEC ATP 8.40336
424 5Y02 MXN 8.41121
425 2DC1 NAD 8.47458
426 4GLL NAD 8.52713
427 1HDG NAD 8.52713
428 2DFV NAD 8.52713
429 3ABI NAD 8.52713
430 5X2N ALA 8.52713
431 6FBA D48 8.52713
432 5LPG 71V 8.53659
433 2WEL K88 8.66667
434 2PKA BEN 8.75
435 1LUA NAP 8.91473
436 5OJL TXP 9.0604
437 4XZ3 COA 9.30233
438 4POO SAM 9.5
439 2GZ3 NAP 9.68992
440 5A1T NAI 9.68992
441 5UAV TFB 9.68992
442 4M1U A2G MBG 9.68992
443 3TLJ SAH 9.68992
444 5UAV NDP 9.68992
445 2GCG NDP 9.68992
446 5A1T OXM 9.68992
447 2PV7 NAD 9.68992
448 2VT3 ATP 9.76744
449 4E13 NAD 9.89399
450 5N2I NAP 9.91379
451 1HYE NAP 10.0775
452 4XFR CIT 10.0775
453 1YS4 NAP 10.0775
454 3RNM FAD 10.0775
455 2F5Z FAD 10.0775
456 2YY7 NAD 10.4651
457 3L9W AMP 10.4651
458 3A2Q ACA ACA 10.4651
459 5J5Z FAD 10.4651
460 3E70 GDP 10.4651
461 1HKU NAD 10.4651
462 1LES GLC FRU 10.4972
463 3H5N ATP 10.8527
464 1EZ4 NAD 10.8527
465 2FR1 NDP 11.6279
466 1WDK NAD 11.6279
467 2WPB ZZI 11.6279
468 3GU3 SAH 11.6279
469 1Z42 FMN 11.6279
470 5J6Y GLC 11.7021
471 5J6Y BGC 11.7021
472 5O96 SAM 11.8367
473 3H8V ATP 12.0155
474 5L95 AMP 12.0155
475 1GV0 NAD 12.0155
476 1ZK7 FAD 12.0155
477 5BN3 ADP 12.0155
478 3AD8 PYC 12.0155
479 3AD8 FAD 12.0155
480 2Q46 NAP 12.4031
481 3EVG SAH 12.4031
482 3A3B FMN 12.4031
483 5TQZ GLC 12.6667
484 2WPF FAD 12.7907
485 2WPF WPF 12.7907
486 2GAG FOA 12.7907
487 2PK3 A2R 13.1783
488 5Y1G NAD 13.5659
489 5Y1G AKB 13.5659
490 5NUE NAD 13.5659
491 5NUF NAD 13.5659
492 1Q3P GLU ALA GLN THR ARG LEU 13.7615
493 2GN4 NDP 13.9535
494 2GN4 UD1 13.9535
495 5MDH NAD 13.9535
496 4MDH NAD 13.9535
497 3G2O SAM 13.9535
498 4II2 ATP 14.1104
499 1LSS NAD 14.2857
500 3LU1 NAD 14.3411
501 4PIV NDP 14.3411
502 5ERG SAM 14.3411
503 5EES NAP 14.5749
504 4PVD NDP 14.7287
505 4EUE NAI 14.7287
506 4D52 GXL 14.7287
507 3SSO SAH 14.7287
508 4D4U FUC GAL NAG 14.7287
509 3A4V PYR 15.1163
510 3A4V NAD 15.1163
511 5IN4 6CK 15.1163
512 5IN4 GDP 15.1163
513 5IN4 NAP 15.1163
514 3O26 NDP 15.5039
515 4U7W NDP 15.5039
516 5WP5 SAH 15.5039
517 5WP4 SAH 15.8915
518 5E8J SAH 15.9091
519 4HXY NDP 16.2791
520 5L4S 6KX 16.2791
521 5L4S NAP 16.2791
522 3C1O NAP 16.2791
523 1WMA NDP 16.6667
524 1WMA AB3 16.6667
525 3RJ5 NAD 17.0543
526 5L53 NAP 17.0543
527 1UDB NAD 17.0543
528 1UDB UFG 17.0543
529 3I6I NDP 17.4419
530 5DN9 NAD 17.4419
531 5O98 NAP 17.8295
532 4OOE FOM 17.8295
533 4OOE NDP 17.8295
534 2CDU ADP 18.2171
535 3GCZ SAM 18.2171
536 3LZW NAP 18.9922
537 1NNU NAD 20
538 1NNU TCT 20
539 1HDR NAD 20.155
540 4J1Q NDP 21.7054
541 3BAZ NAP 23.2558
542 5Z20 NAI 23.6434
543 3NB0 G6P 24.031
544 1N5D NDP 25.5814
545 1XSE NDP 27.907
546 3RFV NAI 27.907
547 3RFV 15L 27.907
548 3ORF NAD 28.6853
549 3WXB NDP 29.4574
550 5GT9 NAP 30.2326
551 1Z6Z NAP 31.0078
552 4J7U YTZ 31.0078
553 4J7U NAP 31.0078
554 4OHU NAD 31.7829
555 4OHU 2TK 31.7829
556 1RPN NDP 31.7829
557 4YAG NAI 32.5581
558 3CH6 NAP 32.5581
559 3CH6 311 32.5581
560 4YAC NAI 32.9457
561 1W8D NAP 33.1126
562 1W73 NAP 33.1126
563 1ZBQ NAD 33.3333
564 1XG5 NAP 33.7209
565 1GZ6 NAI 33.7209
566 2BD0 NAP 34.4961
567 1SNY NAP 34.4961
568 4Y9D NAI 35.6589
569 2GDZ NAD 36.0465
570 4K26 SFF 36.0465
571 4K26 NDP 36.0465
572 1OAA OAA 36.8217
573 3HB5 NAP 36.8217
574 1A27 NAP 36.8217
575 5WQP NAP 37.1795
576 5WQP NCA 37.1795
577 4D42 W0I 37.5969
578 4D42 NAP 37.5969
579 5O42 NAD 38.6861
580 5O42 9JW 38.6861
581 5O42 BGC 38.6861
582 3A28 NAD 38.7597
583 3TN7 NJP 38.7597
584 1UAY ADN 39.1473
585 3GEG NAD 39.6761
586 5GWT NAD 39.9225
587 5GWT SIN 39.9225
588 3RKR NAP 39.9225
589 3H4V DVP 40.3101
590 3H4V NAP 40.3101
591 3OIG NAD 40.3101
592 2DKN NAI 40.3922
593 3OJF NDP 40.6977
594 3OJF IMJ 40.6977
595 5I7S E9P 40.6977
596 5I7S NAD 40.6977
597 1U7T TDT 41.0853
598 1U7T NAD 41.0853
599 1E3W NAD 41.4729
600 1E6W NAD 41.4729
601 1W6U NAP 41.4729
602 4OSP NAP 41.8605
603 4FC7 NAP 41.8605
604 4FC7 COA 41.8605
605 2WYV NAD 41.8605
606 4Q9N NAI 41.8605
607 4OSP 2V4 41.8605
608 1GEG NAD 42.2481
609 3OID NDP 42.2481
610 2EWM NAD 42.2481
611 2PD4 NAD 42.2481
612 2PD4 DCN 42.2481
613 1NFQ NAI 42.6923
614 1MXH DHF 43.4109
615 1MXH NAP 43.4109
616 1PR9 NAP 43.4426
617 3D3W NAP 43.4426
618 2JAP NDP 43.7247
619 4O1M NAD 43.7985
620 1QG6 NAD 43.7985
621 1QG6 TCL 43.7985
622 5CG1 NAD BBN 43.7985
623 2BGM NAJ 43.8849
624 4URF NAD 43.9516
625 4ZU3 4SD 44.0529
626 1FK8 NAD 44.186
627 4JP3 CIT 44.3515
628 2JAH NDP 44.5344
629 1IY8 NAD 44.5736
630 1YXM ADE 44.5736
631 1ZK4 NAP 44.5736
632 1ZK4 AC0 44.5736
633 3SJU NDP 45.3488
634 3VZS NAP 45.3488
635 1O5I NAD 45.3488
636 3VZS CAA 45.3488
637 1D7O NAD 45.7364
638 1D7O TCL 45.7364
639 2WSB NAD 46.063
640 5JCJ NAP 46.124
641 5JDI NAP 46.124
642 6F9Q NAD 46.124
643 4CM9 NAP 46.124
644 5K6A NAP 46.124
645 3BMN NAP 46.124
646 5JDC NAP 46.124
647 4CLR NAP 46.124
648 2WD7 NAP 46.124
649 4CMI NAP 46.124
650 3JQ7 NAP 46.124
651 4CLO NAP 46.124
652 4CM8 NAP 46.124
653 4CM4 NAP 46.124
654 3JQ9 NAP 46.124
655 3BMO NAP 46.124
656 3JQF NAP 46.124
657 3JQG NAP 46.124
658 3BMQ NAP 46.124
659 4CME NAP 46.124
660 3JQA NAP 46.124
661 3JQB NAP 46.124
662 3JQ8 NAP 46.124
663 1HDC CBO 46.124
664 5JDI 6JO 46.124
665 5JCJ 6JM 46.124
666 4CM9 YGL 46.124
667 4CME KTZ 46.124
668 5K6A 6QT 46.124
669 5JDC 6JP 46.124
670 3JQ8 DX3 46.124
671 4RF2 NAP 46.5116
672 1X1T NAD 46.5116
673 3U4C NDP 46.5116
674 4FN4 NAD 46.8992
675 5EJ2 NAD 46.8992
676 1G0N NDP 46.8992
677 1G0N PHH 46.8992
678 3QWI CUE 46.8992
679 3QWI NAP 46.8992
680 4O0L NDP 46.8992
681 2B4Q NAP 46.8992
682 5OVL NAP 46.8992
683 5G4L NDP 46.8992
684 5OVK NDP 47.2656
685 5FEU NAP 47.2868
686 3AY6 NAI 47.2868
687 3AY6 BGC 47.2868
688 5FFF NAP 47.2868
689 5FFF 5XC 47.2868
690 3ZV6 NAD 47.2868
691 3ZV6 4HB 47.2868
692 1BDB NAD 47.2868
693 1EDO NAP 47.541
694 2ZAT NAP 47.6744
695 4QED NAP 47.6744
696 1AE1 NAP 48.062
697 4ITU 1HS 48.062
698 4ITU NAI 48.062
699 1GEE NAD 48.062
700 5WUW NAP 48.062
701 3V1U NAD 48.062
702 5THQ NDP 48.4496
703 4NBT NAD 48.75
704 4CQM NAP 48.7705
705 6CI9 NAP 48.8372
706 5OJI NAP 48.8372
707 5OJI ISN 48.8372
708 6CI9 F3V 48.8372
709 3O03 NAP 49.2248
710 4ZA2 NAD 49.6124
711 1Q7B NAP 50
712 5EPO NAP 50
713 5EPO TUD 50
Pocket No.: 2; Query (leader) PDB : 3AFN; Ligand: NAP; Similar sites found with APoc: 103
This union binding pocket(no: 2) in the query (biounit: 3afn.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 5O2Z FLC None
2 6BKL RIM None
3 5ME4 HP4 1.16279
4 2CUL FAD 1.2931
5 1P19 IMP 1.35747
6 3LCC SAH 1.93798
7 3NKS FAD 1.93798
8 1O9P MLA 2.32558
9 4C2W ANP 2.32558
10 4JK3 NAD 2.32558
11 4RPL FAD 2.71318
12 3CTY FAD 2.71318
13 2CDC XYS 2.71318
14 2CDC XYP 2.71318
15 2CDC NAP 2.71318
16 2NAD NAD 2.71318
17 4BT5 23B 2.72374
18 2GNM MAN 2.77778
19 1P9B GDP 3.10078
20 4M52 FAD 3.10078
21 3K5I AIR 3.10078
22 4Y4V DAL 3.10078
23 5ULP KB1 3.10078
24 2E0N SAH 3.10078
25 3O7J 2AL 3.1746
26 5GVR LMR 3.4188
27 4U6D 3DY 3.48837
28 1NX9 AIC 3.48837
29 4KP7 NAP 3.48837
30 4KP7 1UQ 3.48837
31 2JHP SAH 3.48837
32 3AXB FAD 3.87597
33 3AXB PRO 3.87597
34 4KIB SAH 3.87597
35 6CGZ HL6 3.87597
36 5I34 GDP 4.08163
37 1GPM CIT 4.26357
38 5W7M SAH 4.26357
39 2V7O DRN 4.26357
40 4J4V SVR 4.26357
41 2QPU QPS 4.26357
42 5U8U FAD 4.26357
43 4NFE BEN 4.64135
44 2IVD FAD 4.65116
45 4RSL FAD 4.65116
46 4YSX FAD 4.78723
47 3UVD MB3 4.83871
48 1R18 SAH 4.84582
49 2J5V RGP 5.03876
50 1C0I BE2 5.03876
51 1C0I FAD 5.03876
52 6CZI 38E 5.03876
53 2B5W NAP 5.03876
54 1JNR FAD 5.33333
55 5L3W GDP 5.42636
56 6ECT SAM 5.42636
57 4GQB 0XU 5.42636
58 2CHT TSA 5.51181
59 5A1S FLC 5.80357
60 4Q6R SIN 5.81395
61 1RSG FAD 5.81395
62 1H82 GZZ 5.81395
63 1H82 FAD 5.81395
64 3T31 DCQ 5.81395
65 3T31 FAD 5.81395
66 3CGD NAD 5.81395
67 3CGD FAD 5.81395
68 3CGD COA 5.81395
69 2IYL GDP 5.98592
70 6F97 FAD 6.20155
71 2BS5 BGC GAL FUC 6.66667
72 1NAA 6FA 6.97674
73 1NAA ABL 6.97674
74 2GSD NAD 6.97674
75 3GRU AMP 7.75194
76 2RIO ADP 7.75194
77 4TWL ASC 8.13008
78 1KNM LAT 8.46154
79 5OQW A4E 8.66142
80 1OFZ FUC 8.91473
81 1OFZ FUL 8.91473
82 2YVJ NAI 8.91473
83 5YU3 NAD 9.30233
84 5YU3 PRO 9.30233
85 2HQM FAD 9.30233
86 3HCH RSM 9.58904
87 4TVD BGC 10.0775
88 3WLE NAD 10.0775
89 2XZ9 PYR 10.4651
90 1D6Z HY1 10.4651
91 3FSY SCA 10.8434
92 1PHK ATP 10.8527
93 1Z44 FMN 11.6279
94 4ZV1 ARG 12.0172
95 1BZL GCG 12.4031
96 1BZL FAD 12.4031
97 2GAG FAD 12.7907
98 5C9J DAO 13.1313
99 6ECW SAH 13.1783
100 5MB4 NAG 15.5039
101 4AF5 CIT 18.9922
102 6HDT BTN 22.5564
103 5L3V GDP 24.8062
Pocket No.: 3; Query (leader) PDB : 3AFN; Ligand: NAP; Similar sites found with APoc: 22
This union binding pocket(no: 3) in the query (biounit: 3afn.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 6G33 5ID 0.775194
2 1LR8 IHS 2.7027
3 1KSK URA 2.99145
4 2A8X FAD 3.10078
5 1PMO PLR 3.10078
6 4OH4 ANP 3.87597
7 3UOY FAD 3.87597
8 3UOY NAP 3.87597
9 4B4U NAP 3.87597
10 4BTV RB3 3.87597
11 3W9F I3P 4.23077
12 5MIT NAP 4.65116
13 5MIT FAD 4.65116
14 2WTN FER 4.78088
15 2NVK NAP 5.03876
16 4MO4 ACP 5.42636
17 3X0V FAD 6.58915
18 1DCP HBI 6.73077
19 1P4V GLY 7.75194
20 1OFS SUC 10.4167
21 5KOD IAC 18.9922
22 3AB4 THR 21.9101
Pocket No.: 4; Query (leader) PDB : 3AFN; Ligand: NAP; Similar sites found with APoc: 16
This union binding pocket(no: 4) in the query (biounit: 3afn.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 5M6N 7H9 None
2 3I7V ATP 2.23881
3 4IEE AGS 2.32558
4 4ZFL 4NK 3.10078
5 4BCQ TJF 3.10078
6 5OC1 FAD 3.87597
7 5X3R 7Y3 4.39024
8 4RKX 3S9 4.5977
9 6FP4 FAD 4.65116
10 2GPT SKM 5.03876
11 4MN7 SME 5.42636
12 5NXX 3Q7 5.42636
13 5TC4 NAD 6.58915
14 3CM2 X23 8.46154
15 2ZIF SAM 9.30233
16 1Q8A HCS 9.68992
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